1-[9-(2,6-dimethoxyphenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride

Systemtic Name: 1-[9-(2,6-dimethoxyphenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride Openeye Name: 1-[9-(2,6-dimethoxyphenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride CAS Name: 1-[9-(2,6-dimethoxyphenyl)-6-(1-piperidin-1-iumylidene)-3-xanthenyl]piperidine chloride IUPAC Name: 1-[9-(2,6-dimethoxyphenyl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine chloride Traditional Name: 1-[9-(2,6-dimethoxyphenyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine chloride Formula: C31H35ClN2O3 MolecularWeight: 519.0742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=C3C=CC(=[N+]4CCCCC4)C=C3OC5=C2C=CC(=C5)N6CCCCC6.[Cl-]

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=C3C=CC(=[N+]4CCCCC4)C=C3OC5=C2C=CC(=C5)N6CCCCC6.[Cl-]

InChI

InChI=1S/C31H35N2O3.ClH/c1-34-26-10-9-11-27(35-2)31(26)30-24-14-12-22(32-16-5-3-6-17-32)20-28(24)36-29-21-23(13-15-25(29)30)33-18-7-4-8-19-33;/h9-15,20-21H,3-8,16-19H2,1-2H3;1H/q+1;/p-1